6-[(Z)-1-amino-2-[amino-[1-(1-prop-2-enoylpiperidin-4-yl)azetidin-3-yl]amino]prop-1-enyl]-4-(1-pyridin-2-ylethoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile;ethane

C31H41N9O2 — CID 171074844

IUPAC6-[(Z)-1-amino-2-[amino-[1-(1-prop-2-enoylpiperidin-4-yl)azetidin-3-yl]amino]prop-1-enyl]-4-(1-pyridin-2-ylethoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile;ethane
SMILESC=CC(=O)N1CCC(N2CC(N(N)/C(C)=C(\N)c3cc(OC(C)c4ccccn4)c4c(C#N)cnn4c3)C2)CC1.CC
InChIInChI=1S/C29H35N9O2.C2H6/c1-4-27(39)35-11-8-23(9-12-35)36-17-24(18-36)38(32)19(2)28(31)21-13-26(29-22(14-30)15-34-37(29)16-21)40-20(3)25-7-5-6-10-33-25;1-2/h4-7,10,13,15-16,20,23-24H,1,8-9,11-12,17-18,31-32H2,2-3H3;1-2H3/b28-19-;
InChIKeyXIGLFGOKWRWQFX-IKKIYUABSA-N
MW571.73 g/mol
LogP3.45
Rot. Bonds8

About 6-[(Z)-1-amino-2-[amino-[1-(1-prop-2-enoylpiperidin-4-yl)azetidin-3-yl]amino]prop-1-enyl]-4-(1-pyridin-2-ylethoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile;ethane

6-[(Z)-1-amino-2-[amino-[1-(1-prop-2-enoylpiperidin-4-yl)azetidin-3-yl]amino]prop-1-enyl]-4-(1-pyridin-2-ylethoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile;ethane (PubChem CID 171074844) has the molecular formula C31H41N9O2 and a molecular weight of 571.73 g/mol. Its IUPAC name is 6-[(Z)-1-amino-2-[amino-[1-(1-prop-2-enoylpiperidin-4-yl)azetidin-3-yl]amino]prop-1-enyl]-4-(1-pyridin-2-ylethoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile;ethane.

Molecular Properties

Compound Name6-[(Z)-1-amino-2-[amino-[1-(1-prop-2-enoylpiperidin-4-yl)azetidin-3-yl]amino]prop-1-enyl]-4-(1-pyridin-2-ylethoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile;ethane
PubChem CID171074844
Molecular FormulaC31H41N9O2
Molecular Weight571.73 g/mol
Exact Mass571.34
IUPAC Name6-[(Z)-1-amino-2-[amino-[1-(1-prop-2-enoylpiperidin-4-yl)azetidin-3-yl]amino]prop-1-enyl]-4-(1-pyridin-2-ylethoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile;ethane
SMILESC=CC(=O)N1CCC(N2CC(N(N)/C(C)=C(\N)c3cc(OC(C)c4ccccn4)c4c(C#N)cnn4c3)C2)CC1.CC
InChIInChI=1S/C29H35N9O2.C2H6/c1-4-27(39)35-11-8-23(9-12-35)36-17-24(18-36)38(32)19(2)28(31)21-13-26(29-22(14-30)15-34-37(29)16-21)40-20(3)25-7-5-6-10-33-25;1-2/h4-7,10,13,15-16,20,23-24H,1,8-9,11-12,17-18,31-32H2,2-3H3;1-2H3/b28-19-;
InChIKeyXIGLFGOKWRWQFX-IKKIYUABSA-N
XLogP3.45
TPSA142.04 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500571.73
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 6-[(Z)-1-amino-2-[amino-[1-(1-prop-2-enoylpiperidin-4-yl)azetidin-3-yl]amino]prop-1-enyl]-4-(1-pyridin-2-ylethoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile;ethane with MolForge

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Related Compounds

tert-butyl 3-[3-[[(Z)-4-amino-3-[3-cyano-4-(1-pyridin-2-ylethoxy)pyrazolo[1,5-a]pyridin-6-yl]but-3-en-2-ylidene]amino]azetidin-1-yl]pyrrolidine-1-carboxylate
CID 164921461
tert-butyl 4-[4-[3-cyano-4-[(1R)-1-pyridin-2-ylethoxy]pyrazolo[1,5-a]pyridin-6-yl]-5-methyltriazol-1-yl]piperidine-1-carboxylate
CID 164921453
[3-cyano-4-[(1R)-1-pyridin-2-ylethoxy]pyrazolo[1,5-a]pyridin-6-yl]boronic acid
CID 171818813
6-[2-(1-cyanopiperidin-4-yl)iminopropanehydrazonoyl]-4-(1-pyridin-2-ylethoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 164921297
6-bromo-4-(1-pyridin-2-ylethoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 164920773
6-[1-(1-cyanopiperidin-4-yl)-5-methyltriazol-4-yl]-4-[(1R)-1-pyridin-2-ylethoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 164921413
6-[(Z)-1-amino-3-piperidin-4-yliminobut-1-en-2-yl]-4-(1-pyridin-2-ylethoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 169267645
tert-butyl 4-[4-[3-cyano-4-[(1S)-2,2,2-trifluoro-1-pyridin-2-ylethoxy]pyrazolo[1,5-a]pyridin-6-yl]-5-methyltriazol-1-yl]piperidine-1-carboxylate
CID 164920923
4-[(1R)-1-pyridin-2-ylethoxy]-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 164920671
6-(5-methyl-1H-pyrazol-4-yl)-4-(1-pyridin-2-ylethoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile;1-(oxetan-3-yl)azepane
CID 169267284
4-[(1R)-1-(3-fluoro-2-pyridinyl)ethoxy]-6-[1-[1-(2-hydroxy-2-methylpropanoyl)piperidin-3-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 176650601
6-[5-methyl-1-[7-(oxetan-3-yl)-7-azaspiro[3.5]nonan-2-yl]pyrazol-4-yl]-4-[(1R)-1-pyridin-2-ylethoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 169267387

Frequently Asked Questions

What is the IUPAC name of 6-[(Z)-1-amino-2-[amino-[1-(1-prop-2-enoylpiperidin-4-yl)azetidin-3-yl]amino]prop-1-enyl]-4-(1-pyridin-2-ylethoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile;ethane?
The IUPAC name of 6-[(Z)-1-amino-2-[amino-[1-(1-prop-2-enoylpiperidin-4-yl)azetidin-3-yl]amino]prop-1-enyl]-4-(1-pyridin-2-ylethoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile;ethane (CID 171074844) is 6-[(Z)-1-amino-2-[amino-[1-(1-prop-2-enoylpiperidin-4-yl)azetidin-3-yl]amino]prop-1-enyl]-4-(1-pyridin-2-ylethoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile;ethane.
What is the SMILES notation for 6-[(Z)-1-amino-2-[amino-[1-(1-prop-2-enoylpiperidin-4-yl)azetidin-3-yl]amino]prop-1-enyl]-4-(1-pyridin-2-ylethoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile;ethane?
The canonical SMILES for 6-[(Z)-1-amino-2-[amino-[1-(1-prop-2-enoylpiperidin-4-yl)azetidin-3-yl]amino]prop-1-enyl]-4-(1-pyridin-2-ylethoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile;ethane is C=CC(=O)N1CCC(N2CC(N(N)/C(C)=C(\N)c3cc(OC(C)c4ccccn4)c4c(C#N)cnn4c3)C2)CC1.CC.
What is the InChIKey of 6-[(Z)-1-amino-2-[amino-[1-(1-prop-2-enoylpiperidin-4-yl)azetidin-3-yl]amino]prop-1-enyl]-4-(1-pyridin-2-ylethoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile;ethane?
The InChIKey is XIGLFGOKWRWQFX-IKKIYUABSA-N. The full InChI is InChI=1S/C29H35N9O2.C2H6/c1-4-27(39)35-11-8-23(9-12-35)36-17-24(18-36)38(32)19(2)28(31)21-13-26(29-22(14-30)15-34-37(29)16-21)40-20(3)25-7-5-6-10-33-25;1-2/h4-7,10,13,15-16,20,23-24H,1,8-9,11-12,17-18,31-32H2,2-3H3;1-2H3/b28-19-;.
What are the key properties of 6-[(Z)-1-amino-2-[amino-[1-(1-prop-2-enoylpiperidin-4-yl)azetidin-3-yl]amino]prop-1-enyl]-4-(1-pyridin-2-ylethoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile;ethane?
6-[(Z)-1-amino-2-[amino-[1-(1-prop-2-enoylpiperidin-4-yl)azetidin-3-yl]amino]prop-1-enyl]-4-(1-pyridin-2-ylethoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile;ethane has a molecular weight of 571.73 g/mol, XLogP of 3.45, 8 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(Z)-1-amino-2-[amino-[1-(1-prop-2-enoylpiperidin-4-yl)azetidin-3-yl]amino]prop-1-enyl]-4-(1-pyridin-2-ylethoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile;ethane is sourced from PubChem (CID 171074844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).